N-[3-(2-methoxybenzamido)phenyl]-6-oxopiperazine-2-carboxamide

• ChemBase ID: 697058
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C2NC(=O)CNC2)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C1CNCC(=O)N1
• InChI: InChI=1S/C19H20N4O4/c1-27-16-8-3-2-7-14(16)18(25)21-12-5-4-6-13(9-12)22-19(26)15-10-20-11-17(24)23-15/h2-9,15,20H,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,24)
• InChIKey: FSAXSZAQHMYXPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxybenzamido)phenyl]-6-oxopiperazine-2-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxybenzamido)phenyl]-6-oxopiperazine-2-carboxamide
• Synonyms: N-{3-[(2-methoxybenzoyl)amino]phenyl}-6-oxopiperazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.429218
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -0.30826122
• LogD (pH = 7.4): 0.55198234
• Log P: 0.58876836
• Molar Refractivity: 101.6318 cm^3
• Polarizability: 37.89552 Å^3
• Polar Surface Area: 108.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -0.26
• LOG S: -2.97
• Polar Surface Area: 108.56 Å^2
• Rotatable Bonds: 5